1-[1-(3-fluorophenyl)propyl]-3-[3-(trifluoromethyl)phenyl]indole

C24H19F4N — CID 141126920

IUPAC1-[1-(3-fluorophenyl)propyl]-3-[3-(trifluoromethyl)phenyl]indole
SMILESCCC(c1cccc(F)c1)n1cc(-c2cccc(C(F)(F)F)c2)c2ccccc21
InChIInChI=1S/C24H19F4N/c1-2-22(17-8-6-10-19(25)14-17)29-15-21(20-11-3-4-12-23(20)29)16-7-5-9-18(13-16)24(26,27)28/h3-15,22H,2H2,1H3
InChIKeyUICOKZLZILHREL-UHFFFAOYSA-N
MW397.42 g/mol
LogP7.47
Rot. Bonds4

About 1-[1-(3-fluorophenyl)propyl]-3-[3-(trifluoromethyl)phenyl]indole

1-[1-(3-fluorophenyl)propyl]-3-[3-(trifluoromethyl)phenyl]indole (PubChem CID 141126920) has the molecular formula C24H19F4N and a molecular weight of 397.42 g/mol. Its IUPAC name is 1-[1-(3-fluorophenyl)propyl]-3-[3-(trifluoromethyl)phenyl]indole.

Molecular Properties

Compound Name1-[1-(3-fluorophenyl)propyl]-3-[3-(trifluoromethyl)phenyl]indole
PubChem CID141126920
Molecular FormulaC24H19F4N
Molecular Weight397.42 g/mol
Exact Mass397.15
IUPAC Name1-[1-(3-fluorophenyl)propyl]-3-[3-(trifluoromethyl)phenyl]indole
SMILESCCC(c1cccc(F)c1)n1cc(-c2cccc(C(F)(F)F)c2)c2ccccc21
InChIInChI=1S/C24H19F4N/c1-2-22(17-8-6-10-19(25)14-17)29-15-21(20-11-3-4-12-23(20)29)16-7-5-9-18(13-16)24(26,27)28/h3-15,22H,2H2,1H3
InChIKeyUICOKZLZILHREL-UHFFFAOYSA-N
XLogP7.47
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.42
LogP ≤ 57.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-(3-fluorophenyl)-N-methyl-3-[3-[3-(trifluoromethyl)phenyl]indol-1-yl]propan-1-amine
CID 141126993
1-[1-(3-fluorophenyl)propyl]-3-propan-2-ylindole
CID 150635589
3-[3-(3,4-dichlorophenyl)indol-1-yl]-3-(3-fluorophenyl)-N-methylpropan-1-amine
CID 141127005
5-fluoro-1-[1-(3-fluorophenyl)propyl]indole
CID 174528238
3-(1-ethylindol-3-yl)-3-(3-fluorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
CID 42801362
1-(3-fluorophenyl)-1-[3-(trifluoromethyl)phenyl]propan-1-ol
CID 114872417
1-fluoro-2-[3-(trifluoromethyl)phenyl]benzene
CID 46311910
(2S,3S)-3-[3-(2-chlorophenyl)indol-1-yl]-3-(3-fluorophenyl)propane-1,2-diol
CID 68902935
1-methyl-3-[3-(trifluoromethyl)phenyl]indole-6-carboxylic acid
CID 59625707
3-(trifluoromethyl)-9-[4-(trifluoromethyl)-2-[3-(trifluoromethyl)carbazol-9-yl]-5-[3-(trifluoromethyl)phenyl]phenyl]carbazole
CID 162610974
1-(3-fluorophenyl)-1-[3-(trifluoromethyl)phenyl]ethanol
CID 62787437
3-[1-[4-(trifluoromethyl)indol-1-yl]propyl]benzonitrile
CID 175330098

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-fluorophenyl)propyl]-3-[3-(trifluoromethyl)phenyl]indole?
The IUPAC name of 1-[1-(3-fluorophenyl)propyl]-3-[3-(trifluoromethyl)phenyl]indole (CID 141126920) is 1-[1-(3-fluorophenyl)propyl]-3-[3-(trifluoromethyl)phenyl]indole.
What is the SMILES notation for 1-[1-(3-fluorophenyl)propyl]-3-[3-(trifluoromethyl)phenyl]indole?
The canonical SMILES for 1-[1-(3-fluorophenyl)propyl]-3-[3-(trifluoromethyl)phenyl]indole is CCC(c1cccc(F)c1)n1cc(-c2cccc(C(F)(F)F)c2)c2ccccc21.
What is the InChIKey of 1-[1-(3-fluorophenyl)propyl]-3-[3-(trifluoromethyl)phenyl]indole?
The InChIKey is UICOKZLZILHREL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F4N/c1-2-22(17-8-6-10-19(25)14-17)29-15-21(20-11-3-4-12-23(20)29)16-7-5-9-18(13-16)24(26,27)28/h3-15,22H,2H2,1H3.
What are the key properties of 1-[1-(3-fluorophenyl)propyl]-3-[3-(trifluoromethyl)phenyl]indole?
1-[1-(3-fluorophenyl)propyl]-3-[3-(trifluoromethyl)phenyl]indole has a molecular weight of 397.42 g/mol, XLogP of 7.47, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-fluorophenyl)propyl]-3-[3-(trifluoromethyl)phenyl]indole is sourced from PubChem (CID 141126920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).